Spektraris NMR
Patuletin 7-O-(6''-isovaleryl)glucoside
Common Name: Patuletin 7-O-(6''-isovaleryl)glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O14/c1-10(2)6-17(30)38-9-16-19(31)22(34)24(36)27(41-16)40-15-8-14-18(21(33)26(15)37-3)20(32)23(35)25(39-14)11-4-5-12(28)13(29)7-11/h4-5,7-8,10,16,19,22,24,27-29,31,33-36H,6,9H2,1-3H3/t16-,19-,22+,24-,27-/m1/s1
InChIKey: InChIKey=SOEZANHKTWLRIX-BAHLFPRBSA-N
Formula: C27H30O14
Molecular Weight: 578.519761
Exact Mass: 578.163556
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Park, E.J., Kim, Y., Kim, J. J Nat Prod (2000) 63, 34-6
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (C) | 149.9 |
| 3 (C) | 138.3 |
| 4 (C) | 178.5 |
| 5 (C) | 154 |
| 6 (C) | 134.3 |
| 7 (C) | 158.2 |
| 8 (CH) | 96.1 |
| 9 (C) | 153.9 |
| 10 (C) | 107.5 |
| 1' (C) | 124.7 |
| 2' (CH) | 117.1 |
| 3' (C) | 147.2 |
| 4' (C) | 149.9 |
| 5' (CH) | 117.1 |
| 6' (CH) | 122.7 |
| 1'' (CH) | 102.3 |
| 2'' (CH) | 75.4 |
| 3'' (CH) | 78.7 |
| 4'' (CH) | 72.7 |
| 5'' (CH) | 76.4 |
| 6'' (CH2) | 65.6 |
| 6a (CH3) | 62.3 |
| 6''a (C) | 175.4 |
| 6''b (CH2) | 44.9 |
| 6''d (CH) | 27.5 |
| 6''e (CH3) | 23.2 |
| 6''f (CH3) | 23.2 |
